[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone

C24H22N4O — CID 141325162

IUPAC[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1)N1CCNCC1
InChIInChI=1S/C24H22N4O/c29-24(28-11-9-25-10-12-28)19-8-4-7-18(13-19)20-14-21-22(16-27-23(21)26-15-20)17-5-2-1-3-6-17/h1-8,13-16,25H,9-12H2,(H,26,27)
InChIKeyRCPVQHNUPJTHMN-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.94
Rot. Bonds3

About [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone

[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone (PubChem CID 141325162) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
PubChem CID141325162
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1)N1CCNCC1
InChIInChI=1S/C24H22N4O/c29-24(28-11-9-25-10-12-28)19-8-4-7-18(13-19)20-14-21-22(16-27-23(21)26-15-20)17-5-2-1-3-6-17/h1-8,13-16,25H,9-12H2,(H,26,27)
InChIKeyRCPVQHNUPJTHMN-UHFFFAOYSA-N
XLogP3.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11952995
[5-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
CID 90028656
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
[3-[3-(2-ethoxy-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70960684
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
1-[4-[[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141403762
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-piperidin-1-ylmethanone
CID 146274420
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532
2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid
CID 11953086

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone (CID 141325162) is [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone is O=C(c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1)N1CCNCC1.
What is the InChIKey of [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is RCPVQHNUPJTHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(28-11-9-25-10-12-28)19-8-4-7-18(13-19)20-14-21-22(16-27-23(21)26-15-20)17-5-2-1-3-6-17/h1-8,13-16,25H,9-12H2,(H,26,27).
What are the key properties of [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone?
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 382.47 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 141325162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).